N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine

C26H31N5O3S2 — CID 90446729

IUPACN-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C26H31N5O3S2/c1-5-22-25(29(2)26-28-23(17-35-26)19-6-9-21(34-3)10-7-19)31-16-20(8-11-24(31)27-22)18-12-14-30(15-13-18)36(4,32)33/h6-11,16-18H,5,12-15H2,1-4H3
InChIKeyNSDVRSXAFXUZMA-UHFFFAOYSA-N
MW525.70 g/mol
LogP4.94
Rot. Bonds7

About N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine

N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 90446729) has the molecular formula C26H31N5O3S2 and a molecular weight of 525.70 g/mol. Its IUPAC name is N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID90446729
Molecular FormulaC26H31N5O3S2
Molecular Weight525.70 g/mol
Exact Mass525.19
IUPAC NameN-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C26H31N5O3S2/c1-5-22-25(29(2)26-28-23(17-35-26)19-6-9-21(34-3)10-7-19)31-16-20(8-11-24(31)27-22)18-12-14-30(15-13-18)36(4,32)33/h6-11,16-18H,5,12-15H2,1-4H3
InChIKeyNSDVRSXAFXUZMA-UHFFFAOYSA-N
XLogP4.94
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.70
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine (CID 90446729) is N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(OC)cc2)cs1.
What is the InChIKey of N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is NSDVRSXAFXUZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3S2/c1-5-22-25(29(2)26-28-23(17-35-26)19-6-9-21(34-3)10-7-19)31-16-20(8-11-24(31)27-22)18-12-14-30(15-13-18)36(4,32)33/h6-11,16-18H,5,12-15H2,1-4H3.
What are the key properties of N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 525.70 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 90446729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).